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Locating saddle points using gradient extremals on manifolds adaptively revealed as point clouds
A Georgiou1, H Vandecasteele2, J M Bello-Rivas3
1Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland 21218, USA.
Abstract:
Steady states are invaluable in the study of dynamical systems. High-dimensional dynamical systems, due to separation of time scales, often evolve toward a lower dimensional manifold M. We introduce an approach to locate saddle points (and other fixed points) that utilizes gradient extremals on such a priori unknown (Riemannian) manifolds, defined by adaptively sampled point clouds, with local coordinates discovered on-the-fly through manifold learning. The technique, which efficiently biases the dynamical system along a curve (as opposed to exhaustively exploring the state space), requires knowledge of a single minimum and the ability to sample around an arbitrary point. We demonstrate the effectiveness of the technique on the Müller-Brown potential mapped onto an unknown surface (namely, a sphere). Previous work employed a similar algorithmic framework to find saddle points using Newton trajectories and gentlest ascent dynamics; we, therefore, also offer a brief comparison with these methods.
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